2-methylhexyl 3-cyano-4-methyl-benzenesulfonate

Systemtic Name: 2-methylhexyl 3-cyano-4-methyl-benzenesulfonate Openeye Name: 2-methylhexyl 3-cyano-4-methyl-benzenesulfonate CAS Name: 3-cyano-4-methylbenzenesulfonic acid 2-methylhexyl ester IUPAC Name: 2-methylhexyl 3-cyano-4-methylbenzenesulfonate Traditional Name: 3-cyano-4-methyl-benzenesulfonic acid 2-methylhexyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)COS(=O)(=O)C1=CC(=C(C=C1)C)C#N

Isomeric SMILES

CCCCC(C)COS(=O)(=O)C1=CC(=C(C=C1)C)C#N

InChI

InChI=1S/C15H21NO3S/c1-4-5-6-12(2)11-19-20(17,18)15-8-7-13(3)14(9-15)10-16/h7-9,12H,4-6,11H2,1-3H3